(2S,3S,4S,5R)-3-[(2S,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[4-[[2-[(2R)-3-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]sulfanylacetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R)-3-[(2S,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[4-[[2-[(2R)-3-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]sulfanylacetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid
• 化学式: C₇₈H₁₀₉N₇O₇₀S₁₃
• 分子量: 2681.6
• InChiKey: QSNGSRXFSSBJBJ-YAPRRJJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.3
• 重原子数：
  168
• 可旋转键数：
  66
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  1250
• 氢给体数：
  19
• 氢受体数：
  73